4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride

C11H19Cl2N5S — CID 91985266

IUPAC4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride
SMILESCNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1.[Cl-].[H+]
InChIInChI=1S/C11H18ClN5S.ClH/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17;/h4-7H2,1-3H3,(H,13,14,15);1H
InChIKeyBOPODZXKWPKKNF-UHFFFAOYSA-N
MW324.28 g/mol
LogP-1.24
Rot. Bonds3

About 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride

4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride (PubChem CID 91985266) has the molecular formula C11H19Cl2N5S and a molecular weight of 324.28 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride
PubChem CID91985266
Molecular FormulaC11H19Cl2N5S
Molecular Weight324.28 g/mol
Exact Mass323.07
IUPAC Name4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride
SMILESCNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1.[Cl-].[H+]
InChIInChI=1S/C11H18ClN5S.ClH/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17;/h4-7H2,1-3H3,(H,13,14,15);1H
InChIKeyBOPODZXKWPKKNF-UHFFFAOYSA-N
XLogP-1.24
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride?
The IUPAC name of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride (CID 91985266) is 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride.
What is the SMILES notation for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride?
The canonical SMILES for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride is CNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1.[Cl-].[H+].
What is the InChIKey of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride?
The InChIKey is BOPODZXKWPKKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5S.ClH/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17;/h4-7H2,1-3H3,(H,13,14,15);1H.
What are the key properties of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride?
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride has a molecular weight of 324.28 g/mol, XLogP of -1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride is sourced from PubChem (CID 91985266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).